Geometry & MOs

Info

ID:	367428
PubChem CID:	127324590
Reduced:	O2N7C17H25 (1)
Stoich.:	A2B7C17D25 (1)
Weight, g/mol:	396.227374
ΔH_f, kcal/mol:	-9.1
Dipole, Da:	3.13
IP(EA), eV:	-9.61(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(4-methylbenzoyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)N3CCOC(C3)CN4C=CC=N4

DOS

IR

Vibrations